Homec4science
Diffusion lammps (master) Graph

Graph
master

History Graph

CommitAuthorDetailsCommitted
8fca667e4b7fSebastian Hütter
Change indexing of remaining variables and locals 
Jun 26 2017
ea4d11fc5effStan Moore
Merge branch 'master' into USER-DPD_kokkos_testing 
Jun 26 2017
f7077d96726eAxel Kohlmeyer
Merge branch 'collected-bugfixes' of github.com:akohlmey/lammps into collected… 
Jun 26 2017
f89a7266bfefAxel Kohlmeyer
make USER-INTEL compilable again with gcc and without OpenMP active 
Jun 26 2017
125795566234Stefan Paquay
Merge branch 'master' of https://www.github.com/lammps/lammps 
Jun 24 2017
1370385c8c9fSteve Plimpton
patch 23Jun17 
Jun 24 2017
2240c3d7d3a8sjplimp/GitHub
Merge pull request #548 from lammps/doc-update 
Jun 24 2017
4fcbd58d5a32Steve Plimpton
doc page clarifications for CHARMM energy and dipole pre-factors 
Jun 23 2017
c2c6dc14588aAxel Kohlmeyer
remove spurious comment line 
Jun 23 2017
18983c307e96Axel Kohlmeyer
fix qeq/reax/omp bugfix from metin 
Jun 23 2017
25a5d12af386sjplimp/GitHub
Merge pull request #541 from lammps/charmm 
Jun 23 2017
05fbf9345518Axel Kohlmeyer
skip deleting internal data before setup has been run 
Jun 23 2017
73b948dcfc97Axel Kohlmeyer
pppm must be fully reinitialized after switching to triclinic box to avoid… 
Jun 23 2017
374eef2b1752Axel Kohlmeyer
add first draft of issue template 
Jun 23 2017
dc7243838b8cAxel Kohlmeyer
first draft of a contributor's guide file 
Jun 23 2017
57d5cfede391Axel Kohlmeyer
add first draft of a pull request template 
Jun 23 2017
feb500b52684Axel Kohlmeyer
reword the kspace_modify fftbench keyword docs to reflect the current state (i. 
Jun 23 2017
a714b5774132Axel Kohlmeyer
make neighbor list reset message for minimization more explicit 
Jun 23 2017
c5430b0a2607Axel Kohlmeyer
print info messages when changing qqr2e constant in fully CHARMM compatible… 
Jun 23 2017
c081d383d1c5Stefan Paquay
Merge branch 'master' of https://www.github.com/lammps/lammps 
Jun 23 2017
f8364342c238Axel Kohlmeyer
port corrected triclinic handling from pppm/tip4p to pppm/tip4p/omp 
Jun 23 2017
488d1b7a79fcAxel Kohlmeyer
correct find_M() function in pppm/tip4p to properly account for ghost atoms not… 
Jun 22 2017
dadd1c8b4d6eSebastian Hütter
Remove neigh_f2c/c2f, related cleanup 
Jun 22 2017
60c3f3d64c58Steve Plimpton
use CHARMM energy conversion factor with new CHARMM pair styles 
Jun 22 2017
7a4a56985986sjplimp/GitHub
Merge pull request #540 from lammps/neighrespa 
Jun 22 2017
4fc3f4f7e563sjplimp/GitHub
Merge pull request #538 from akohlmey/collected-small-changes 
Jun 22 2017
f092da80a959Sebastian Hütter
Fix some shadowing warnings 
Jun 22 2017
b0ddabbcde94Axel Kohlmeyer
update examples for fix filter/corotate to comply with new CHARMM restrictions 
Jun 22 2017
b9029ada7785Axel Kohlmeyer
fix bug in incorrect use of O coordinate instead of M coordinate in pppm/tip4p 
Jun 22 2017
de3157f720b3Axel Kohlmeyer
document new restrictions to CHARMM compatible dihedral styles 
Jun 22 2017
0c6a7517511bAxel Kohlmeyer
may check for 1-4 scaling factors in CHARMM dihedral styles only when… 
Jun 22 2017
612b44a8951eAxel Kohlmeyer
enforce using 'special_bonds charmm' for dihedral styles charmm and charmmfsw 
Jun 22 2017
684b7334a56cAxel Kohlmeyer
enforce that CHARMM dihedral styles are run at the same r-RESPA level as pair 
Jun 22 2017
1fc2eb1e3e4bSteve Plimpton
fix issue with rRESPA inner/middle neighbor lists 
Jun 21 2017
e69ef56f108esjplimp/GitHub
Merge pull request #539 from lammps/neighsize 
Jun 21 2017
7dc380b113d8Steve Plimpton
insure compute pair/property local will use a copy of granular neigh list 
Jun 21 2017
f47aaa5f3c9bStefan Paquay
Merge branch 'master' of https://www.github.com/lammps/lammps 
Jun 21 2017
5e165e67822fAxel Kohlmeyer
fix array bounds issue due to typo. spotted by GCC. 
Jun 21 2017
02625b285521Sebastian Hütter
fix typos introduced in original translation: results are correct again 
Jun 21 2017
1a77135ed65bAxel Kohlmeyer
whitespace cleanup in docs 
Jun 21 2017
f45c7e1fb023Axel Kohlmeyer
update fix ti/spring docs to reflect it is part of USER-MISC 
Jun 21 2017
0cfe8980d4caAxel Kohlmeyer
dead code removal 
Jun 21 2017
2988508cee98Axel Kohlmeyer
correct indexing bug in pair style lj/long/tip4p/long 
Jun 20 2017
15c596153aaaAxel Kohlmeyer
remove dead code 
Jun 20 2017
e13c94ed4f26Axel Kohlmeyer
fix uninitialized variable bug spotted by coverity scan 
Jun 20 2017
812f1a8fabd7Axel Kohlmeyer
remove local variables shadowing global ones in BondsOMP() 
Jun 20 2017
218bc92c82d5Axel Kohlmeyer
make pre-processor defines for using libc's qsort() consistent 
Jun 20 2017
ffa906de6ff6Axel Kohlmeyer
add C++ format identifiers to .h files 
Jun 20 2017
cccf72a21d6aAxel Kohlmeyer
make certain class member list is initialized to NULL before assigned to a… 
Jun 20 2017
87c028ed0237Steve Plimpton
patch 20Jun17 
Jun 20 2017
bb47fa8783d8Sebastian Hütter
Change indexing of all MEAM element arrays 
Jun 20 2017
c79dc53c6aefSebastian Hütter
code improvement, less pointer params 
Jun 20 2017
72a1364d854fAxel Kohlmeyer/GitHub
Merge branch 'master' into package-meamc 
Jun 20 2017
198fe7ecd7adSebastian Hütter
fix storing of invalid memory pointer 
Jun 20 2017
84b530cca189sjplimp/GitHub
Merge pull request #537 from lammps/neb 
Jun 20 2017
50c9167913d6Axel Kohlmeyer
small formatting correction in fix neb docs 
Jun 20 2017
d2610d9e7c0dSteve Plimpton
minor changes to NEB doc pages and examples 
Jun 20 2017
326a8a1289efsjplimp/GitHub
Merge pull request #536 from akohlmey/fix-nvcc-openmp-conflicts 
Jun 20 2017
b5300724bb8bsjplimp/GitHub
Merge pull request #533 from lammps/user-intel 
Jun 20 2017
e129f18e6f19sjplimp/GitHub
Merge pull request #530 from akohlmey/no_static_sort_in_dump 
Jun 20 2017
8c54fcd1b6c9Axel Kohlmeyer
cleanup from aidan for fix reax/c/species and its KOKKOS version 
Jun 19 2017
67a0183b3332Stan Moore
Removing atom2bin change since ssa neighlists aren't be used for occasional… 
Jun 19 2017
f5047ac3c7f9Axel Kohlmeyer
augment fix shardlow check for ordering fixes to be KOKKOS compatible 
Jun 19 2017
b96b6b9cd775Stan Moore
Fixing error checks 
Jun 19 2017
164cedf3539cAxel Kohlmeyer
protect all OpenMP pragmas with ifdefs and add special conditions for nvcc to… 
Jun 19 2017
3c329d170791Axel Kohlmeyer
massive whitespace cleanup in USER-INTEL 
Jun 19 2017
b687d16177feAxel Kohlmeyer
insert C++ file format indicator comments 
Jun 19 2017
da0dcbe0bb2aStan Moore
Updating to master 
Jun 19 2017
9d3e34e4922cAxel Kohlmeyer
add missing reference for lj/smooth/linear 
Jun 19 2017
8988b692a392Emile Maras
modified the documentation, first and last freeend can have different spring… 
Jun 19 2017
c97415aefab7Emile Maras
corrected the initial free end 
Jun 19 2017
a9f3f900255eSebastian Hütter
fix uninitialized members 
Jun 19 2017
9b8de3ba2960Axel Kohlmeyer
remove ifdefs for selecting between plain and hybrid merge sort. use hybrid… 
Jun 17 2017
cd88b31450c3Steve Plimpton
same PR, also has cosmetic changes to new fix neb options 
Jun 17 2017
9b9f6d6fe2f4Steve Plimpton
USER-INTEL upgrade from M Brown 
Jun 17 2017
c1b0b1b3f9d7Axel Kohlmeyer
restore old qsort() based code and add preprocessor directives to switch 
Jun 17 2017
bc0241576fa1sjplimp/GitHub
Merge pull request #532 from akohlmey/restore-heuristics-in-fix-shardlow 
Jun 16 2017
2a6f026853e6Axel Kohlmeyer
mergesort performance improvements 
Jun 16 2017
8728a8ddae67Axel Kohlmeyer
restore heuristics for checking against integrators that broke after PR #499… 
Jun 15 2017
9aa450b83240sjplimp/GitHub
Merge pull request #528 from akohlmey/no_static_in_ring_comm 
Jun 15 2017
0588c382f0a6sjplimp/GitHub
Merge pull request #513 from v0i0/bugfix-airebo-nconj-kronecker 
Jun 15 2017
d3c90f3c14ddsjplimp/GitHub
Merge pull request #510 from akohlmey/collected-small-changes 
Jun 15 2017
b62d526cc98dAxel Kohlmeyer
Revert "avoid undesired negative forces for high particle velocities in… 
Jun 15 2017
1a29048940e9sjplimp/GitHub
Merge pull request #531 from ohenrich/user-cgdna 
Jun 15 2017
0a6b3f87901csjplimp/GitHub
Merge pull request #527 from dstelter92/master 
Jun 15 2017
7227bc415d00sjplimp/GitHub
Merge pull request #526 from andeplane/vashishta_gpu 
Jun 15 2017
a4bc233d8631sjplimp/GitHub
Merge pull request #525 from akohlmey/user-tally-refactor 
Jun 15 2017
5c5b4ffadba9sjplimp/GitHub
Merge pull request #522 from akohlmey/tip4p-cleanup-refactor 
Jun 15 2017
30177c4eaeb0sjplimp/GitHub
Merge pull request #521 from pastewka/17_dump_nc 
Jun 15 2017
178eff237bc3sjplimp/GitHub
Merge pull request #520 from stanmoore1/kokkos_update 
Jun 15 2017
576b7f1d97b7sjplimp/GitHub
Merge pull request #519 from Pakketeretet2/USER-MANIFOLD-gaussian-bump 
Jun 15 2017
86369fec6babsjplimp/GitHub
Merge pull request #517 from akohlmey/select-rigid-reinit-option 
Jun 15 2017
79341ac5d162sjplimp/GitHub
Merge pull request #516 from akohlmey/check-rigid-overlap 
Jun 15 2017
66945294a9a7sjplimp/GitHub
Merge pull request #515 from stanmoore1/remove_fences 
Jun 15 2017
9a7207e34cb4sjplimp/GitHub
Merge pull request #511 from akohlmey/add-compute-cnp 
Jun 15 2017
d41c617d1de0sjplimp/GitHub
Merge pull request #509 from akohlmey/add-atomonly-npair-for-omp 
Jun 15 2017
1ec9e588fff2sjplimp/GitHub
Merge pull request #504 from andeplane/hexorder_fix 
Jun 15 2017
3c7417fb598dsjplimp/GitHub
Merge pull request #497 from lammps/add-user-reaxc-omp 
Jun 15 2017
34cfc7bd514bsjplimp/GitHub
Merge pull request #490 from EmileMaras/NEB-Change 
Jun 15 2017
c98bb7fa5f2aOliver Henrich
Corrected minor bug in utility script 
Jun 15 2017
First
Prev
6
7
8
9
10
Next
c4science · Help